USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HE2:sc= -1.49 K(o=-2,f=-1.3) USER MOD Set 1.2: B 13 SER OG : rot 150:sc= -0.533 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.669 K(o=0.67,f=-6.7!) USER MOD Single : A 16 ASN : amide:sc= -0.728 K(o=-0.73,f=-2.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0635 X(o=-0.063,f=-0.51) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.678 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.852 K(o=-0.85,f=-0.088) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.07) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -76:sc= 1.17 USER MOD Single : A 80 ASN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 81 THR OG1 : rot -77:sc= 1.1 USER MOD Single : A 83 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.37) USER MOD Single : A 86 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.27) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.165 6.972 -10.354 1.00 0.00 N ATOM 54 CA GLY A 4 -11.280 6.061 -9.696 1.00 0.00 C ATOM 55 C GLY A 4 -10.505 5.254 -10.679 1.00 0.00 C ATOM 56 O GLY A 4 -10.631 4.032 -10.748 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.594 6.616 -9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.853 5.397 -9.049 1.00 0.00 H new ATOM 60 N ASP A 5 -9.689 5.919 -11.515 1.00 0.00 N ATOM 61 CA ASP A 5 -8.870 5.265 -12.489 1.00 0.00 C ATOM 62 C ASP A 5 -7.577 4.774 -11.935 1.00 0.00 C ATOM 63 O ASP A 5 -7.254 4.924 -10.758 1.00 0.00 O ATOM 64 CB ASP A 5 -8.694 6.171 -13.719 1.00 0.00 C ATOM 65 CG ASP A 5 -8.586 5.415 -15.035 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.589 4.155 -15.022 1.00 0.00 O ATOM 67 OD2 ASP A 5 -8.545 6.079 -16.105 1.00 0.00 O ATOM 0 H ASP A 5 -9.596 6.935 -11.515 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.387 4.360 -12.808 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.538 6.858 -13.775 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.798 6.777 -13.586 1.00 0.00 H new ATOM 72 N ILE A 6 -6.771 4.131 -12.800 1.00 0.00 N ATOM 73 CA ILE A 6 -5.474 3.611 -12.495 1.00 0.00 C ATOM 74 C ILE A 6 -4.465 4.693 -12.669 1.00 0.00 C ATOM 75 O ILE A 6 -4.476 5.424 -13.657 1.00 0.00 O ATOM 76 CB ILE A 6 -5.175 2.401 -13.331 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.828 1.135 -12.755 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.666 2.147 -13.491 1.00 0.00 C ATOM 79 CD1 ILE A 6 -7.339 1.019 -12.943 1.00 0.00 C ATOM 0 H ILE A 6 -7.042 3.965 -13.769 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.439 3.279 -11.457 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.598 2.618 -14.312 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.357 0.266 -13.214 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.610 1.090 -11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.509 1.260 -14.105 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.201 3.008 -13.972 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.217 1.993 -12.510 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.691 0.088 -12.498 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.832 1.862 -12.458 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.575 1.024 -14.007 1.00 0.00 H new ATOM 91 N PHE A 7 -3.549 4.856 -11.698 1.00 0.00 N ATOM 92 CA PHE A 7 -2.567 5.894 -11.731 1.00 0.00 C ATOM 93 C PHE A 7 -1.223 5.422 -11.291 1.00 0.00 C ATOM 94 O PHE A 7 -1.084 4.406 -10.612 1.00 0.00 O ATOM 95 CB PHE A 7 -3.039 7.166 -11.007 1.00 0.00 C ATOM 96 CG PHE A 7 -3.110 7.100 -9.520 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.133 6.445 -8.875 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.180 7.778 -8.769 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.228 6.475 -7.503 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.270 7.820 -7.397 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.301 7.168 -6.761 1.00 0.00 C ATOM 0 H PHE A 7 -3.489 4.256 -10.875 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.445 6.180 -12.776 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.370 7.982 -11.280 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.028 7.425 -11.384 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.868 5.902 -9.451 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.365 8.286 -9.264 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.033 5.953 -7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.534 8.362 -6.822 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.382 7.200 -5.685 1.00 0.00 H new ATOM 111 N GLU A 8 -0.164 6.139 -11.710 1.00 0.00 N ATOM 112 CA GLU A 8 1.204 5.763 -11.530 1.00 0.00 C ATOM 113 C GLU A 8 2.009 6.836 -10.883 1.00 0.00 C ATOM 114 O GLU A 8 2.223 7.921 -11.419 1.00 0.00 O ATOM 115 CB GLU A 8 1.812 5.325 -12.872 1.00 0.00 C ATOM 116 CG GLU A 8 1.724 6.338 -14.015 1.00 0.00 C ATOM 117 CD GLU A 8 2.017 5.693 -15.363 1.00 0.00 C ATOM 118 OE1 GLU A 8 1.138 4.949 -15.873 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.095 5.959 -15.958 1.00 0.00 O ATOM 0 H GLU A 8 -0.269 7.027 -12.200 1.00 0.00 H new ATOM 0 HA GLU A 8 1.229 4.916 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.862 5.082 -12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.318 4.407 -13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.728 6.781 -14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.431 7.149 -13.838 1.00 0.00 H new ATOM 126 N VAL A 9 2.491 6.570 -9.656 1.00 0.00 N ATOM 127 CA VAL A 9 3.256 7.489 -8.871 1.00 0.00 C ATOM 128 C VAL A 9 4.701 7.126 -8.916 1.00 0.00 C ATOM 129 O VAL A 9 5.066 5.952 -8.896 1.00 0.00 O ATOM 130 CB VAL A 9 2.740 7.536 -7.464 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.572 8.441 -6.540 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.290 8.048 -7.486 1.00 0.00 C ATOM 0 H VAL A 9 2.341 5.675 -9.190 1.00 0.00 H new ATOM 0 HA VAL A 9 3.150 8.489 -9.292 1.00 0.00 H new ATOM 0 HB VAL A 9 2.806 6.524 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.144 8.429 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.598 8.076 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.564 9.460 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.902 8.087 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.263 9.046 -7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.675 7.374 -8.083 1.00 0.00 H new ATOM 142 N GLU A 10 5.589 8.134 -8.971 1.00 0.00 N ATOM 143 CA GLU A 10 6.970 7.988 -8.629 1.00 0.00 C ATOM 144 C GLU A 10 7.240 8.881 -7.467 1.00 0.00 C ATOM 145 O GLU A 10 7.034 10.092 -7.529 1.00 0.00 O ATOM 146 CB GLU A 10 7.948 8.378 -9.751 1.00 0.00 C ATOM 147 CG GLU A 10 7.762 7.536 -11.015 1.00 0.00 C ATOM 148 CD GLU A 10 8.916 7.664 -11.998 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.942 8.332 -11.698 1.00 0.00 O ATOM 150 OE2 GLU A 10 8.807 7.058 -13.097 1.00 0.00 O ATOM 0 H GLU A 10 5.339 9.079 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 10 7.135 6.931 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.811 9.431 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.971 8.265 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.649 6.489 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.838 7.835 -11.509 1.00 0.00 H new ATOM 157 N LEU A 11 7.722 8.320 -6.343 1.00 0.00 N ATOM 158 CA LEU A 11 8.003 9.086 -5.168 1.00 0.00 C ATOM 159 C LEU A 11 9.337 8.690 -4.641 1.00 0.00 C ATOM 160 O LEU A 11 9.884 7.651 -5.012 1.00 0.00 O ATOM 161 CB LEU A 11 6.880 8.898 -4.133 1.00 0.00 C ATOM 162 CG LEU A 11 6.830 9.914 -2.980 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.813 11.375 -3.459 1.00 0.00 C ATOM 164 CD2 LEU A 11 5.570 9.657 -2.135 1.00 0.00 C ATOM 0 H LEU A 11 7.919 7.324 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 11 8.037 10.149 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.925 8.930 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.975 7.900 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 11 7.740 9.774 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.777 12.040 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.714 11.579 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.935 11.543 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.529 10.375 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.684 9.769 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.603 8.645 -1.730 1.00 0.00 H new ATOM 176 N ALA A 12 9.955 9.513 -3.774 1.00 0.00 N ATOM 177 CA ALA A 12 11.215 9.177 -3.186 1.00 0.00 C ATOM 178 C ALA A 12 11.276 9.830 -1.849 1.00 0.00 C ATOM 179 O ALA A 12 10.704 10.903 -1.659 1.00 0.00 O ATOM 180 CB ALA A 12 12.377 9.666 -4.066 1.00 0.00 C ATOM 0 H ALA A 12 9.580 10.415 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 12 11.307 8.095 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.325 9.399 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.312 9.197 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.319 10.749 -4.176 1.00 0.00 H new ATOM 186 N LYS A 13 11.959 9.198 -0.878 1.00 0.00 N ATOM 187 CA LYS A 13 11.885 9.601 0.493 1.00 0.00 C ATOM 188 C LYS A 13 12.418 10.965 0.771 1.00 0.00 C ATOM 189 O LYS A 13 13.571 11.301 0.504 1.00 0.00 O ATOM 190 CB LYS A 13 12.438 8.579 1.500 1.00 0.00 C ATOM 191 CG LYS A 13 13.915 8.211 1.356 1.00 0.00 C ATOM 192 CD LYS A 13 14.592 7.890 2.690 1.00 0.00 C ATOM 193 CE LYS A 13 14.013 6.686 3.433 1.00 0.00 C ATOM 194 NZ LYS A 13 14.784 6.428 4.670 1.00 0.00 N ATOM 0 H LYS A 13 12.570 8.398 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 13 10.808 9.645 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.280 8.970 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.849 7.666 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.005 7.349 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.443 9.036 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.652 7.711 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.522 8.765 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.967 6.870 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.039 5.806 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.381 5.608 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.776 6.232 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.738 7.263 5.288 1.00 0.00 H new ATOM 208 N ASN A 14 11.544 11.832 1.313 1.00 0.00 N ATOM 209 CA ASN A 14 11.829 13.195 1.634 1.00 0.00 C ATOM 210 C ASN A 14 12.142 13.291 3.087 1.00 0.00 C ATOM 211 O ASN A 14 13.292 13.143 3.497 1.00 0.00 O ATOM 212 CB ASN A 14 10.713 14.133 1.145 1.00 0.00 C ATOM 213 CG ASN A 14 9.314 13.572 1.357 1.00 0.00 C ATOM 214 OD1 ASN A 14 8.792 13.577 2.470 1.00 0.00 O ATOM 215 ND2 ASN A 14 8.692 13.032 0.275 1.00 0.00 N ATOM 0 H ASN A 14 10.586 11.566 1.539 1.00 0.00 H new ATOM 0 HA ASN A 14 12.713 13.540 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.796 15.087 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.858 14.335 0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.766 12.616 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.151 13.043 -0.636 1.00 0.00 H new ATOM 222 N ASP A 15 11.127 13.480 3.950 1.00 0.00 N ATOM 223 CA ASP A 15 11.255 13.398 5.372 1.00 0.00 C ATOM 224 C ASP A 15 11.375 11.971 5.782 1.00 0.00 C ATOM 225 O ASP A 15 12.267 11.587 6.536 1.00 0.00 O ATOM 226 CB ASP A 15 10.056 14.104 6.027 1.00 0.00 C ATOM 227 CG ASP A 15 10.397 14.537 7.447 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.416 15.262 7.595 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.663 14.170 8.402 1.00 0.00 O ATOM 0 H ASP A 15 10.179 13.699 3.644 1.00 0.00 H new ATOM 0 HA ASP A 15 12.160 13.905 5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.771 14.974 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.197 13.434 6.042 1.00 0.00 H new ATOM 234 N ASN A 16 10.496 11.113 5.233 1.00 0.00 N ATOM 235 CA ASN A 16 10.604 9.690 5.333 1.00 0.00 C ATOM 236 C ASN A 16 9.844 9.112 4.190 1.00 0.00 C ATOM 237 O ASN A 16 9.618 9.785 3.185 1.00 0.00 O ATOM 238 CB ASN A 16 10.112 9.200 6.706 1.00 0.00 C ATOM 239 CG ASN A 16 10.769 7.891 7.118 1.00 0.00 C ATOM 240 OD1 ASN A 16 11.500 7.259 6.357 1.00 0.00 O ATOM 241 ND2 ASN A 16 10.496 7.470 8.382 1.00 0.00 N ATOM 0 H ASN A 16 9.682 11.421 4.701 1.00 0.00 H new ATOM 0 HA ASN A 16 11.641 9.360 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.320 9.961 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.030 9.068 6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.903 6.601 8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.884 8.023 8.983 1.00 0.00 H new ATOM 248 N SER A 17 9.408 7.843 4.280 1.00 0.00 N ATOM 249 CA SER A 17 8.679 7.159 3.257 1.00 0.00 C ATOM 250 C SER A 17 7.220 7.457 3.304 1.00 0.00 C ATOM 251 O SER A 17 6.736 8.293 2.541 1.00 0.00 O ATOM 252 CB SER A 17 8.939 5.644 3.259 1.00 0.00 C ATOM 253 OG SER A 17 8.769 5.063 4.543 1.00 0.00 O ATOM 0 H SER A 17 9.572 7.266 5.105 1.00 0.00 H new ATOM 0 HA SER A 17 9.059 7.547 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.262 5.162 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.953 5.453 2.909 1.00 0.00 H new ATOM 0 HG SER A 17 8.943 4.100 4.492 1.00 0.00 H new ATOM 259 N LEU A 18 6.424 6.795 4.163 1.00 0.00 N ATOM 260 CA LEU A 18 5.006 6.974 4.200 1.00 0.00 C ATOM 261 C LEU A 18 4.522 7.829 5.319 1.00 0.00 C ATOM 262 O LEU A 18 4.473 9.053 5.206 1.00 0.00 O ATOM 263 CB LEU A 18 4.294 5.612 4.131 1.00 0.00 C ATOM 264 CG LEU A 18 4.136 5.120 2.683 1.00 0.00 C ATOM 265 CD1 LEU A 18 3.940 3.595 2.625 1.00 0.00 C ATOM 266 CD2 LEU A 18 2.960 5.830 1.993 1.00 0.00 C ATOM 0 H LEU A 18 6.773 6.122 4.845 1.00 0.00 H new ATOM 0 HA LEU A 18 4.739 7.544 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.859 4.877 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.312 5.692 4.596 1.00 0.00 H new ATOM 0 HG LEU A 18 5.056 5.364 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.832 3.281 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.806 3.100 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.044 3.322 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.866 5.467 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.039 5.622 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.140 6.905 1.982 1.00 0.00 H new ATOM 278 N GLY A 19 4.069 7.213 6.426 1.00 0.00 N ATOM 279 CA GLY A 19 3.256 7.842 7.421 1.00 0.00 C ATOM 280 C GLY A 19 1.817 7.529 7.198 1.00 0.00 C ATOM 281 O GLY A 19 0.966 8.416 7.148 1.00 0.00 O ATOM 0 H GLY A 19 4.278 6.237 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.558 7.503 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.407 8.921 7.393 1.00 0.00 H new ATOM 285 N ILE A 20 1.481 6.236 7.049 1.00 0.00 N ATOM 286 CA ILE A 20 0.166 5.802 6.692 1.00 0.00 C ATOM 287 C ILE A 20 -0.197 4.570 7.449 1.00 0.00 C ATOM 288 O ILE A 20 0.659 3.863 7.980 1.00 0.00 O ATOM 289 CB ILE A 20 0.075 5.624 5.206 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.339 5.854 4.645 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.664 4.276 4.757 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.344 6.128 3.141 1.00 0.00 C ATOM 0 H ILE A 20 2.142 5.470 7.180 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.564 6.563 6.969 1.00 0.00 H new ATOM 0 HB ILE A 20 0.691 6.412 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.954 4.978 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.798 6.695 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.579 4.185 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.714 4.224 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.116 3.463 5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.369 6.282 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.755 7.021 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.912 5.277 2.615 1.00 0.00 H new ATOM 304 N SER A 21 -1.498 4.246 7.541 1.00 0.00 N ATOM 305 CA SER A 21 -1.977 3.055 8.174 1.00 0.00 C ATOM 306 C SER A 21 -2.775 2.291 7.175 1.00 0.00 C ATOM 307 O SER A 21 -3.455 2.858 6.322 1.00 0.00 O ATOM 308 CB SER A 21 -2.812 3.365 9.426 1.00 0.00 C ATOM 309 OG SER A 21 -3.027 2.212 10.229 1.00 0.00 O ATOM 0 H SER A 21 -2.243 4.832 7.163 1.00 0.00 H new ATOM 0 HA SER A 21 -1.128 2.461 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.306 4.128 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.774 3.780 9.125 1.00 0.00 H new ATOM 0 HG SER A 21 -3.560 2.455 11.014 1.00 0.00 H new ATOM 315 N VAL A 22 -2.666 0.950 7.208 1.00 0.00 N ATOM 316 CA VAL A 22 -3.199 0.050 6.232 1.00 0.00 C ATOM 317 C VAL A 22 -4.090 -0.913 6.937 1.00 0.00 C ATOM 318 O VAL A 22 -3.912 -1.174 8.125 1.00 0.00 O ATOM 319 CB VAL A 22 -2.068 -0.592 5.485 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.275 -2.060 5.073 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.785 0.257 4.235 1.00 0.00 C ATOM 0 H VAL A 22 -2.177 0.466 7.961 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.803 0.559 5.481 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.228 -0.623 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.393 -2.416 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.432 -2.669 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.147 -2.136 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.965 -0.188 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.677 0.293 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.512 1.268 4.536 1.00 0.00 H new ATOM 331 N THR A 23 -5.103 -1.467 6.246 1.00 0.00 N ATOM 332 CA THR A 23 -6.048 -2.344 6.864 1.00 0.00 C ATOM 333 C THR A 23 -6.320 -3.525 5.996 1.00 0.00 C ATOM 334 O THR A 23 -6.738 -3.437 4.842 1.00 0.00 O ATOM 335 CB THR A 23 -7.310 -1.656 7.293 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.185 -2.508 8.018 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.104 -1.015 6.143 1.00 0.00 C ATOM 0 H THR A 23 -5.268 -1.306 5.252 1.00 0.00 H new ATOM 0 HA THR A 23 -5.588 -2.698 7.787 1.00 0.00 H new ATOM 0 HB THR A 23 -6.948 -0.859 7.943 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.989 -2.010 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.001 -0.540 6.541 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.486 -0.266 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.389 -1.784 5.425 1.00 0.00 H new ATOM 345 N GLY A 24 -6.030 -4.718 6.544 1.00 0.00 N ATOM 346 CA GLY A 24 -6.230 -5.980 5.902 1.00 0.00 C ATOM 347 C GLY A 24 -5.273 -6.245 4.791 1.00 0.00 C ATOM 348 O GLY A 24 -4.117 -5.828 4.819 1.00 0.00 O ATOM 0 H GLY A 24 -5.637 -4.807 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.140 -6.773 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.247 -6.022 5.512 1.00 0.00 H new ATOM 352 N GLY A 25 -5.742 -6.978 3.765 1.00 0.00 N ATOM 353 CA GLY A 25 -4.971 -7.308 2.606 1.00 0.00 C ATOM 354 C GLY A 25 -4.205 -8.574 2.777 1.00 0.00 C ATOM 355 O GLY A 25 -3.063 -8.709 2.340 1.00 0.00 O ATOM 0 H GLY A 25 -6.690 -7.354 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.634 -7.401 1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.279 -6.494 2.389 1.00 0.00 H new ATOM 359 N VAL A 26 -4.843 -9.551 3.445 1.00 0.00 N ATOM 360 CA VAL A 26 -4.264 -10.772 3.913 1.00 0.00 C ATOM 361 C VAL A 26 -4.147 -11.813 2.854 1.00 0.00 C ATOM 362 O VAL A 26 -3.356 -11.689 1.919 1.00 0.00 O ATOM 363 CB VAL A 26 -4.990 -11.228 5.144 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.605 -10.266 6.280 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.520 -11.208 4.991 1.00 0.00 C ATOM 0 H VAL A 26 -5.835 -9.482 3.674 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.228 -10.581 4.191 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.704 -12.261 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.114 -10.564 7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.527 -10.300 6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.901 -9.251 6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.983 -11.549 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.851 -10.193 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.813 -11.868 4.175 1.00 0.00 H new ATOM 375 N ASN A 27 -4.906 -12.919 2.947 1.00 0.00 N ATOM 376 CA ASN A 27 -4.961 -13.961 1.970 1.00 0.00 C ATOM 377 C ASN A 27 -5.679 -13.519 0.740 1.00 0.00 C ATOM 378 O ASN A 27 -5.167 -13.634 -0.373 1.00 0.00 O ATOM 379 CB ASN A 27 -5.525 -15.261 2.568 1.00 0.00 C ATOM 380 CG ASN A 27 -6.755 -15.047 3.439 1.00 0.00 C ATOM 381 OD1 ASN A 27 -7.888 -14.988 2.965 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.542 -14.922 4.777 1.00 0.00 N ATOM 0 H ASN A 27 -5.514 -13.095 3.747 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.941 -14.188 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.778 -15.944 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.749 -15.745 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.330 -14.776 5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.594 -14.974 5.150 1.00 0.00 H new ATOM 389 N THR A 28 -6.897 -12.973 0.895 1.00 0.00 N ATOM 390 CA THR A 28 -7.612 -12.307 -0.149 1.00 0.00 C ATOM 391 C THR A 28 -8.481 -11.299 0.522 1.00 0.00 C ATOM 392 O THR A 28 -8.824 -11.470 1.690 1.00 0.00 O ATOM 393 CB THR A 28 -8.383 -13.251 -1.023 1.00 0.00 C ATOM 394 OG1 THR A 28 -8.887 -12.606 -2.183 1.00 0.00 O ATOM 395 CG2 THR A 28 -9.572 -13.899 -0.294 1.00 0.00 C ATOM 0 H THR A 28 -7.403 -12.996 1.780 1.00 0.00 H new ATOM 0 HA THR A 28 -6.922 -11.823 -0.840 1.00 0.00 H new ATOM 0 HB THR A 28 -7.667 -14.024 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.382 -13.253 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.093 -14.572 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.209 -14.462 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.258 -13.123 0.045 1.00 0.00 H new ATOM 403 N SER A 29 -8.845 -10.197 -0.159 1.00 0.00 N ATOM 404 CA SER A 29 -9.604 -9.144 0.442 1.00 0.00 C ATOM 405 C SER A 29 -10.385 -8.370 -0.564 1.00 0.00 C ATOM 406 O SER A 29 -11.615 -8.389 -0.566 1.00 0.00 O ATOM 407 CB SER A 29 -8.736 -8.161 1.246 1.00 0.00 C ATOM 408 OG SER A 29 -9.524 -7.207 1.942 1.00 0.00 O ATOM 0 H SER A 29 -8.610 -10.035 -1.138 1.00 0.00 H new ATOM 0 HA SER A 29 -10.286 -9.649 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.124 -8.715 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.052 -7.645 0.572 1.00 0.00 H new ATOM 0 HG SER A 29 -8.938 -6.601 2.442 1.00 0.00 H new ATOM 414 N VAL A 30 -9.713 -7.594 -1.433 1.00 0.00 N ATOM 415 CA VAL A 30 -10.334 -6.559 -2.198 1.00 0.00 C ATOM 416 C VAL A 30 -10.803 -7.032 -3.530 1.00 0.00 C ATOM 417 O VAL A 30 -11.986 -6.953 -3.857 1.00 0.00 O ATOM 418 CB VAL A 30 -9.417 -5.383 -2.368 1.00 0.00 C ATOM 419 CG1 VAL A 30 -10.178 -4.200 -2.991 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.838 -4.961 -1.007 1.00 0.00 C ATOM 0 H VAL A 30 -8.713 -7.689 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.211 -6.249 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.602 -5.673 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.501 -3.354 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.568 -4.491 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.005 -3.916 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.174 -4.107 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.651 -4.685 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.278 -5.791 -0.577 1.00 0.00 H new ATOM 430 N ARG A 31 -9.863 -7.500 -4.372 1.00 0.00 N ATOM 431 CA ARG A 31 -10.022 -7.636 -5.787 1.00 0.00 C ATOM 432 C ARG A 31 -9.740 -9.026 -6.244 1.00 0.00 C ATOM 433 O ARG A 31 -10.621 -9.786 -6.641 1.00 0.00 O ATOM 434 CB ARG A 31 -9.059 -6.615 -6.416 1.00 0.00 C ATOM 435 CG ARG A 31 -9.267 -6.336 -7.906 1.00 0.00 C ATOM 436 CD ARG A 31 -8.241 -5.378 -8.515 1.00 0.00 C ATOM 437 NE ARG A 31 -8.171 -4.162 -7.657 1.00 0.00 N ATOM 438 CZ ARG A 31 -8.703 -2.941 -7.952 1.00 0.00 C ATOM 439 NH1 ARG A 31 -9.312 -2.635 -9.135 1.00 0.00 N ATOM 440 NH2 ARG A 31 -8.626 -1.978 -6.988 1.00 0.00 N ATOM 0 H ARG A 31 -8.943 -7.799 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.051 -7.443 -6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.151 -5.674 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.038 -6.969 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.232 -7.280 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.265 -5.922 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.264 -5.857 -8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.528 -5.110 -9.532 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.680 -4.251 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.391 -3.342 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.688 -1.699 -9.288 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.184 -2.187 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.010 -1.049 -7.163 1.00 0.00 H new ATOM 454 N HIS A 32 -8.455 -9.422 -6.209 1.00 0.00 N ATOM 455 CA HIS A 32 -7.972 -10.757 -6.381 1.00 0.00 C ATOM 456 C HIS A 32 -6.846 -10.902 -5.416 1.00 0.00 C ATOM 457 O HIS A 32 -5.792 -11.474 -5.692 1.00 0.00 O ATOM 458 CB HIS A 32 -7.498 -10.990 -7.825 1.00 0.00 C ATOM 459 CG HIS A 32 -6.783 -9.825 -8.444 1.00 0.00 C ATOM 460 ND1 HIS A 32 -5.656 -9.275 -7.869 1.00 0.00 N ATOM 461 CD2 HIS A 32 -7.109 -9.160 -9.584 1.00 0.00 C ATOM 462 CE1 HIS A 32 -5.301 -8.293 -8.677 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.151 -8.178 -9.733 1.00 0.00 N ATOM 0 H HIS A 32 -7.698 -8.758 -6.048 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.754 -11.494 -6.197 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.836 -11.856 -7.841 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.362 -11.238 -8.441 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.945 -9.359 -10.238 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.441 -7.659 -8.519 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.092 -7.497 -10.490 1.00 0.00 H new ATOM 471 N GLY A 33 -7.049 -10.320 -4.221 1.00 0.00 N ATOM 472 CA GLY A 33 -6.013 -9.919 -3.319 1.00 0.00 C ATOM 473 C GLY A 33 -6.134 -8.445 -3.147 1.00 0.00 C ATOM 474 O GLY A 33 -7.234 -7.897 -3.153 1.00 0.00 O ATOM 0 H GLY A 33 -7.984 -10.119 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.116 -10.429 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.033 -10.182 -3.716 1.00 0.00 H new ATOM 478 N GLY A 34 -4.999 -7.737 -3.005 1.00 0.00 N ATOM 479 CA GLY A 34 -4.953 -6.314 -2.869 1.00 0.00 C ATOM 480 C GLY A 34 -4.913 -5.861 -1.450 1.00 0.00 C ATOM 481 O GLY A 34 -5.313 -6.573 -0.530 1.00 0.00 O ATOM 0 H GLY A 34 -4.077 -8.173 -2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.074 -5.934 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.826 -5.880 -3.358 1.00 0.00 H new ATOM 485 N ILE A 35 -4.432 -4.624 -1.238 1.00 0.00 N ATOM 486 CA ILE A 35 -4.177 -4.030 0.039 1.00 0.00 C ATOM 487 C ILE A 35 -4.912 -2.733 0.052 1.00 0.00 C ATOM 488 O ILE A 35 -5.037 -2.084 -0.986 1.00 0.00 O ATOM 489 CB ILE A 35 -2.721 -3.760 0.268 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.787 -4.905 -0.162 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.464 -3.387 1.737 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.942 -6.216 0.607 1.00 0.00 C ATOM 0 H ILE A 35 -4.206 -3.997 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.500 -4.713 0.825 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.477 -2.917 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.953 -5.105 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.756 -4.565 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.401 -3.195 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.033 -2.492 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.776 -4.209 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.235 -6.950 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.743 -6.043 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.958 -6.591 0.485 1.00 0.00 H new ATOM 504 N TYR A 36 -5.452 -2.306 1.207 1.00 0.00 N ATOM 505 CA TYR A 36 -6.316 -1.170 1.307 1.00 0.00 C ATOM 506 C TYR A 36 -5.825 -0.191 2.318 1.00 0.00 C ATOM 507 O TYR A 36 -5.354 -0.552 3.395 1.00 0.00 O ATOM 508 CB TYR A 36 -7.726 -1.659 1.675 1.00 0.00 C ATOM 509 CG TYR A 36 -8.795 -0.838 1.039 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.065 -1.001 -0.300 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.552 0.042 1.776 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.090 -0.305 -0.896 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.578 0.740 1.185 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.845 0.571 -0.153 1.00 0.00 C ATOM 515 OH TYR A 36 -11.899 1.281 -0.767 1.00 0.00 O ATOM 0 H TYR A 36 -5.282 -2.766 2.101 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.334 -0.654 0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.839 -2.699 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.846 -1.632 2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.467 -1.681 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.339 0.186 2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.301 -0.446 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.175 1.422 1.772 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.335 1.857 -0.105 1.00 0.00 H new ATOM 525 N VAL A 37 -5.906 1.114 2.000 1.00 0.00 N ATOM 526 CA VAL A 37 -5.449 2.188 2.826 1.00 0.00 C ATOM 527 C VAL A 37 -6.484 2.606 3.813 1.00 0.00 C ATOM 528 O VAL A 37 -7.623 2.901 3.454 1.00 0.00 O ATOM 529 CB VAL A 37 -5.037 3.360 1.984 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.634 4.578 2.831 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.851 2.950 1.096 1.00 0.00 C ATOM 0 H VAL A 37 -6.311 1.436 1.121 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.585 1.825 3.382 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.896 3.649 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.345 5.398 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.478 4.887 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.793 4.313 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.547 3.797 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.016 2.639 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.148 2.123 0.452 1.00 0.00 H new ATOM 541 N LYS A 38 -6.121 2.666 5.107 1.00 0.00 N ATOM 542 CA LYS A 38 -6.982 3.030 6.188 1.00 0.00 C ATOM 543 C LYS A 38 -7.070 4.511 6.331 1.00 0.00 C ATOM 544 O LYS A 38 -8.137 5.093 6.144 1.00 0.00 O ATOM 545 CB LYS A 38 -6.489 2.374 7.488 1.00 0.00 C ATOM 546 CG LYS A 38 -7.401 2.474 8.712 1.00 0.00 C ATOM 547 CD LYS A 38 -6.686 1.949 9.959 1.00 0.00 C ATOM 548 CE LYS A 38 -7.435 2.063 11.289 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.331 0.911 11.531 1.00 0.00 N ATOM 0 H LYS A 38 -5.173 2.448 5.415 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.987 2.667 5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.309 1.318 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.527 2.817 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.699 3.511 8.866 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.313 1.902 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.445 0.899 9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.740 2.481 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.715 2.137 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.020 2.983 11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.816 1.034 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.036 0.854 10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.772 0.034 11.551 1.00 0.00 H new ATOM 563 N ALA A 39 -5.951 5.186 6.651 1.00 0.00 N ATOM 564 CA ALA A 39 -5.883 6.610 6.754 1.00 0.00 C ATOM 565 C ALA A 39 -4.458 7.020 6.909 1.00 0.00 C ATOM 566 O ALA A 39 -3.570 6.184 7.067 1.00 0.00 O ATOM 567 CB ALA A 39 -6.704 7.161 7.931 1.00 0.00 C ATOM 0 H ALA A 39 -5.063 4.724 6.845 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.311 7.025 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.615 8.247 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.751 6.886 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.329 6.741 8.864 1.00 0.00 H new ATOM 573 N VAL A 40 -4.184 8.336 6.848 1.00 0.00 N ATOM 574 CA VAL A 40 -2.874 8.894 6.984 1.00 0.00 C ATOM 575 C VAL A 40 -2.530 9.153 8.410 1.00 0.00 C ATOM 576 O VAL A 40 -3.363 9.594 9.201 1.00 0.00 O ATOM 577 CB VAL A 40 -2.724 10.106 6.113 1.00 0.00 C ATOM 578 CG1 VAL A 40 -2.792 11.458 6.843 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.432 10.003 5.285 1.00 0.00 C ATOM 0 H VAL A 40 -4.906 9.041 6.698 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.148 8.160 6.635 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.599 10.101 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.673 12.267 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.757 11.555 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.995 11.512 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.332 10.887 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.575 9.935 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.473 9.113 4.657 1.00 0.00 H new ATOM 589 N ILE A 41 -1.285 8.868 8.835 1.00 0.00 N ATOM 590 CA ILE A 41 -0.776 9.279 10.106 1.00 0.00 C ATOM 591 C ILE A 41 -0.227 10.657 9.976 1.00 0.00 C ATOM 592 O ILE A 41 0.791 10.781 9.297 1.00 0.00 O ATOM 593 CB ILE A 41 0.252 8.333 10.651 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.266 6.886 10.724 1.00 0.00 C ATOM 595 CG2 ILE A 41 0.731 8.807 12.034 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.473 6.653 11.633 1.00 0.00 C ATOM 0 H ILE A 41 -0.615 8.337 8.279 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.595 9.271 10.825 1.00 0.00 H new ATOM 0 HB ILE A 41 1.095 8.335 9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.527 6.563 9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.548 6.246 11.063 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.477 8.112 12.419 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.172 9.800 11.946 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.116 8.846 12.719 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.750 5.599 11.606 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.219 6.936 12.655 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.311 7.258 11.287 1.00 0.00 H new ATOM 608 N PRO A 42 -0.769 11.717 10.499 1.00 0.00 N ATOM 609 CA PRO A 42 -0.441 13.052 10.093 1.00 0.00 C ATOM 610 C PRO A 42 0.792 13.597 10.729 1.00 0.00 C ATOM 611 O PRO A 42 0.753 14.645 11.371 1.00 0.00 O ATOM 612 CB PRO A 42 -1.687 13.836 10.494 1.00 0.00 C ATOM 613 CG PRO A 42 -2.146 13.156 11.793 1.00 0.00 C ATOM 614 CD PRO A 42 -1.854 11.682 11.468 1.00 0.00 C ATOM 0 HA PRO A 42 -0.203 13.109 9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.462 14.891 10.653 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.456 13.786 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.588 13.506 12.662 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.202 13.332 12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.566 11.130 12.363 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.734 11.187 11.057 1.00 0.00 H new ATOM 622 N GLN A 43 1.939 12.914 10.569 1.00 0.00 N ATOM 623 CA GLN A 43 3.180 13.234 11.203 1.00 0.00 C ATOM 624 C GLN A 43 4.315 13.020 10.262 1.00 0.00 C ATOM 625 O GLN A 43 5.463 12.838 10.666 1.00 0.00 O ATOM 626 CB GLN A 43 3.379 12.358 12.451 1.00 0.00 C ATOM 627 CG GLN A 43 2.270 12.509 13.495 1.00 0.00 C ATOM 628 CD GLN A 43 2.559 11.779 14.799 1.00 0.00 C ATOM 629 OE1 GLN A 43 1.822 10.888 15.217 1.00 0.00 O ATOM 630 NE2 GLN A 43 3.651 12.211 15.485 1.00 0.00 N ATOM 0 H GLN A 43 2.004 12.095 9.965 1.00 0.00 H new ATOM 0 HA GLN A 43 3.154 14.283 11.498 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.437 11.314 12.145 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.335 12.609 12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.123 13.568 13.706 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.336 12.134 13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.235 12.954 15.100 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.886 11.792 16.385 1.00 0.00 H new ATOM 639 N GLY A 44 4.057 13.033 8.943 1.00 0.00 N ATOM 640 CA GLY A 44 5.081 12.688 8.005 1.00 0.00 C ATOM 641 C GLY A 44 4.746 12.957 6.578 1.00 0.00 C ATOM 642 O GLY A 44 3.861 13.738 6.235 1.00 0.00 O ATOM 0 H GLY A 44 3.157 13.277 8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.986 13.239 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.311 11.628 8.115 1.00 0.00 H new ATOM 646 N ALA A 45 5.502 12.284 5.690 1.00 0.00 N ATOM 647 CA ALA A 45 5.597 12.528 4.285 1.00 0.00 C ATOM 648 C ALA A 45 4.316 12.441 3.529 1.00 0.00 C ATOM 649 O ALA A 45 4.001 13.326 2.734 1.00 0.00 O ATOM 650 CB ALA A 45 6.624 11.543 3.701 1.00 0.00 C ATOM 0 H ALA A 45 6.094 11.506 5.982 1.00 0.00 H new ATOM 0 HA ALA A 45 5.906 13.567 4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.716 11.708 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.592 11.702 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.293 10.521 3.884 1.00 0.00 H new ATOM 656 N ALA A 46 3.500 11.400 3.773 1.00 0.00 N ATOM 657 CA ALA A 46 2.252 11.188 3.106 1.00 0.00 C ATOM 658 C ALA A 46 1.251 12.279 3.281 1.00 0.00 C ATOM 659 O ALA A 46 0.532 12.632 2.349 1.00 0.00 O ATOM 660 CB ALA A 46 1.659 9.841 3.553 1.00 0.00 C ATOM 0 H ALA A 46 3.717 10.679 4.461 1.00 0.00 H new ATOM 0 HA ALA A 46 2.477 11.183 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.708 9.676 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.350 9.037 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.499 9.854 4.631 1.00 0.00 H new ATOM 666 N GLU A 47 1.186 12.891 4.476 1.00 0.00 N ATOM 667 CA GLU A 47 0.332 14.000 4.771 1.00 0.00 C ATOM 668 C GLU A 47 0.870 15.278 4.225 1.00 0.00 C ATOM 669 O GLU A 47 0.145 16.091 3.653 1.00 0.00 O ATOM 670 CB GLU A 47 0.111 14.101 6.289 1.00 0.00 C ATOM 671 CG GLU A 47 -1.049 14.998 6.726 1.00 0.00 C ATOM 672 CD GLU A 47 -0.664 16.428 7.077 1.00 0.00 C ATOM 673 OE1 GLU A 47 0.078 16.647 8.070 1.00 0.00 O ATOM 674 OE2 GLU A 47 -1.151 17.369 6.395 1.00 0.00 O ATOM 0 H GLU A 47 1.754 12.600 5.272 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.627 13.826 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.060 13.099 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.027 14.472 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.789 15.024 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.531 14.545 7.592 1.00 0.00 H new ATOM 681 N SER A 48 2.192 15.495 4.348 1.00 0.00 N ATOM 682 CA SER A 48 2.847 16.699 3.941 1.00 0.00 C ATOM 683 C SER A 48 2.915 16.896 2.465 1.00 0.00 C ATOM 684 O SER A 48 2.619 17.978 1.958 1.00 0.00 O ATOM 685 CB SER A 48 4.259 16.808 4.539 1.00 0.00 C ATOM 686 OG SER A 48 4.784 18.119 4.393 1.00 0.00 O ATOM 0 H SER A 48 2.829 14.805 4.746 1.00 0.00 H new ATOM 0 HA SER A 48 2.216 17.496 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.230 16.542 5.596 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.920 16.093 4.048 1.00 0.00 H new ATOM 0 HG SER A 48 5.682 18.157 4.784 1.00 0.00 H new ATOM 692 N ASP A 49 3.303 15.862 1.699 1.00 0.00 N ATOM 693 CA ASP A 49 3.409 15.904 0.274 1.00 0.00 C ATOM 694 C ASP A 49 2.088 15.692 -0.383 1.00 0.00 C ATOM 695 O ASP A 49 1.594 16.578 -1.079 1.00 0.00 O ATOM 696 CB ASP A 49 4.486 14.880 -0.120 1.00 0.00 C ATOM 697 CG ASP A 49 4.713 14.765 -1.621 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.114 15.772 -2.264 1.00 0.00 O ATOM 699 OD2 ASP A 49 4.504 13.646 -2.159 1.00 0.00 O ATOM 0 H ASP A 49 3.554 14.955 2.091 1.00 0.00 H new ATOM 0 HA ASP A 49 3.715 16.889 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.426 15.154 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.203 13.902 0.270 1.00 0.00 H new ATOM 704 N GLY A 50 1.447 14.528 -0.179 1.00 0.00 N ATOM 705 CA GLY A 50 0.142 14.245 -0.689 1.00 0.00 C ATOM 706 C GLY A 50 0.118 13.628 -2.045 1.00 0.00 C ATOM 707 O GLY A 50 0.201 14.312 -3.065 1.00 0.00 O ATOM 0 H GLY A 50 1.849 13.760 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.367 13.578 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.430 15.172 -0.718 1.00 0.00 H new ATOM 711 N ARG A 51 -0.045 12.295 -2.117 1.00 0.00 N ATOM 712 CA ARG A 51 -0.131 11.558 -3.340 1.00 0.00 C ATOM 713 C ARG A 51 -1.188 10.510 -3.257 1.00 0.00 C ATOM 714 O ARG A 51 -1.877 10.254 -4.244 1.00 0.00 O ATOM 715 CB ARG A 51 1.180 10.826 -3.671 1.00 0.00 C ATOM 716 CG ARG A 51 2.416 11.689 -3.931 1.00 0.00 C ATOM 717 CD ARG A 51 2.501 12.380 -5.293 1.00 0.00 C ATOM 718 NE ARG A 51 1.721 13.648 -5.233 1.00 0.00 N ATOM 719 CZ ARG A 51 1.822 14.658 -6.144 1.00 0.00 C ATOM 720 NH1 ARG A 51 2.747 14.674 -7.148 1.00 0.00 N ATOM 721 NH2 ARG A 51 0.953 15.709 -6.083 1.00 0.00 N ATOM 0 H ARG A 51 -0.120 11.706 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.357 12.294 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.407 10.150 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.008 10.207 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.464 12.456 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.299 11.061 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.540 12.587 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.105 11.729 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 51 1.068 13.769 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.408 13.904 -7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.777 15.456 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.234 15.735 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.022 16.468 -6.761 1.00 0.00 H new ATOM 735 N ILE A 52 -1.359 9.858 -2.094 1.00 0.00 N ATOM 736 CA ILE A 52 -2.188 8.707 -1.912 1.00 0.00 C ATOM 737 C ILE A 52 -3.093 9.015 -0.770 1.00 0.00 C ATOM 738 O ILE A 52 -2.637 9.530 0.250 1.00 0.00 O ATOM 739 CB ILE A 52 -1.371 7.494 -1.577 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.286 7.226 -2.633 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.278 6.263 -1.417 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.700 6.127 -2.241 1.00 0.00 C ATOM 0 H ILE A 52 -0.894 10.150 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.737 8.491 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.867 7.690 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.767 6.952 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.266 8.148 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.670 5.392 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.994 6.441 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.814 6.083 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.434 5.996 -3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.209 6.407 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.161 5.192 -2.088 1.00 0.00 H new ATOM 754 N HIS A 53 -4.404 8.730 -0.872 1.00 0.00 N ATOM 755 CA HIS A 53 -5.365 9.053 0.136 1.00 0.00 C ATOM 756 C HIS A 53 -6.068 7.863 0.690 1.00 0.00 C ATOM 757 O HIS A 53 -5.783 6.713 0.357 1.00 0.00 O ATOM 758 CB HIS A 53 -6.363 10.128 -0.325 1.00 0.00 C ATOM 759 CG HIS A 53 -7.365 9.766 -1.382 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.042 10.795 -2.005 1.00 0.00 N ATOM 761 CD2 HIS A 53 -7.779 8.567 -1.869 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.837 10.212 -2.882 1.00 0.00 C ATOM 763 NE2 HIS A 53 -8.711 8.858 -2.844 1.00 0.00 N ATOM 0 H HIS A 53 -4.808 8.260 -1.682 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.783 9.475 0.956 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.914 10.467 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.789 10.979 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.447 7.588 -1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.503 10.743 -3.546 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.211 8.186 -3.426 1.00 0.00 H new ATOM 771 N LYS A 54 -7.037 8.091 1.595 1.00 0.00 N ATOM 772 CA LYS A 54 -7.910 7.108 2.156 1.00 0.00 C ATOM 773 C LYS A 54 -8.674 6.306 1.158 1.00 0.00 C ATOM 774 O LYS A 54 -9.351 6.826 0.273 1.00 0.00 O ATOM 775 CB LYS A 54 -8.883 7.784 3.138 1.00 0.00 C ATOM 776 CG LYS A 54 -9.901 6.864 3.815 1.00 0.00 C ATOM 777 CD LYS A 54 -10.752 7.611 4.843 1.00 0.00 C ATOM 778 CE LYS A 54 -11.636 6.700 5.697 1.00 0.00 C ATOM 779 NZ LYS A 54 -12.466 7.510 6.617 1.00 0.00 N ATOM 0 H LYS A 54 -7.222 9.026 1.958 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.264 6.395 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.299 8.280 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.426 8.562 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.550 6.423 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.378 6.043 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.094 8.181 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.384 8.330 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.276 6.096 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.015 6.010 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.062 6.881 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.849 8.068 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.071 8.151 6.065 1.00 0.00 H new ATOM 793 N GLY A 55 -8.602 4.969 1.278 1.00 0.00 N ATOM 794 CA GLY A 55 -9.257 4.055 0.395 1.00 0.00 C ATOM 795 C GLY A 55 -8.655 3.867 -0.955 1.00 0.00 C ATOM 796 O GLY A 55 -9.266 3.220 -1.805 1.00 0.00 O ATOM 0 H GLY A 55 -8.069 4.508 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.299 3.082 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.286 4.390 0.263 1.00 0.00 H new ATOM 800 N ASP A 56 -7.432 4.368 -1.200 1.00 0.00 N ATOM 801 CA ASP A 56 -6.681 4.063 -2.378 1.00 0.00 C ATOM 802 C ASP A 56 -6.183 2.659 -2.362 1.00 0.00 C ATOM 803 O ASP A 56 -6.057 2.014 -1.323 1.00 0.00 O ATOM 804 CB ASP A 56 -5.495 5.022 -2.575 1.00 0.00 C ATOM 805 CG ASP A 56 -5.890 6.328 -3.252 1.00 0.00 C ATOM 806 OD1 ASP A 56 -6.979 6.397 -3.883 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.088 7.295 -3.169 1.00 0.00 O ATOM 0 H ASP A 56 -6.952 5.003 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.368 4.188 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.049 5.243 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.730 4.527 -3.173 1.00 0.00 H new ATOM 812 N ARG A 57 -5.916 2.108 -3.559 1.00 0.00 N ATOM 813 CA ARG A 57 -5.684 0.709 -3.739 1.00 0.00 C ATOM 814 C ARG A 57 -4.359 0.497 -4.389 1.00 0.00 C ATOM 815 O ARG A 57 -4.208 0.660 -5.599 1.00 0.00 O ATOM 816 CB ARG A 57 -6.764 0.070 -4.626 1.00 0.00 C ATOM 817 CG ARG A 57 -8.198 0.250 -4.126 1.00 0.00 C ATOM 818 CD ARG A 57 -8.921 1.482 -4.676 1.00 0.00 C ATOM 819 NE ARG A 57 -10.217 1.561 -3.945 1.00 0.00 N ATOM 820 CZ ARG A 57 -11.421 1.126 -4.420 1.00 0.00 C ATOM 821 NH1 ARG A 57 -11.605 0.648 -5.685 1.00 0.00 N ATOM 822 NH2 ARG A 57 -12.490 1.149 -3.572 1.00 0.00 N ATOM 0 H ARG A 57 -5.860 2.648 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.710 0.242 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.688 0.493 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.557 -0.996 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.773 -0.638 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.183 0.311 -3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.329 2.384 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.084 1.391 -5.750 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.204 1.974 -3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.818 0.602 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.530 0.337 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.375 1.484 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.404 0.831 -3.895 1.00 0.00 H new ATOM 836 N VAL A 58 -3.329 0.111 -3.615 1.00 0.00 N ATOM 837 CA VAL A 58 -2.022 -0.168 -4.123 1.00 0.00 C ATOM 838 C VAL A 58 -1.956 -1.532 -4.718 1.00 0.00 C ATOM 839 O VAL A 58 -2.450 -2.506 -4.151 1.00 0.00 O ATOM 840 CB VAL A 58 -0.953 0.020 -3.087 1.00 0.00 C ATOM 841 CG1 VAL A 58 -0.872 1.509 -2.711 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.230 -0.829 -1.836 1.00 0.00 C ATOM 0 H VAL A 58 -3.408 -0.011 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.830 0.559 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.001 -0.309 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.097 1.653 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.630 2.095 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.832 1.836 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.437 -0.670 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.187 -0.537 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.263 -1.883 -2.112 1.00 0.00 H new ATOM 852 N LEU A 59 -1.382 -1.660 -5.928 1.00 0.00 N ATOM 853 CA LEU A 59 -1.435 -2.871 -6.687 1.00 0.00 C ATOM 854 C LEU A 59 -0.065 -3.367 -6.995 1.00 0.00 C ATOM 855 O LEU A 59 0.386 -4.348 -6.407 1.00 0.00 O ATOM 856 CB LEU A 59 -2.291 -2.682 -7.951 1.00 0.00 C ATOM 857 CG LEU A 59 -3.773 -2.390 -7.659 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.540 -1.992 -8.931 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.493 -3.578 -6.998 1.00 0.00 C ATOM 0 H LEU A 59 -0.871 -0.907 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.919 -3.640 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.878 -1.863 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.221 -3.581 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.769 -1.553 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.582 -1.794 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.093 -1.095 -9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.489 -2.804 -9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.535 -3.316 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.447 -4.444 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.007 -3.817 -6.052 1.00 0.00 H new ATOM 871 N ALA A 60 0.658 -2.728 -7.931 1.00 0.00 N ATOM 872 CA ALA A 60 1.954 -3.159 -8.355 1.00 0.00 C ATOM 873 C ALA A 60 3.076 -2.413 -7.722 1.00 0.00 C ATOM 874 O ALA A 60 2.950 -1.247 -7.349 1.00 0.00 O ATOM 875 CB ALA A 60 2.070 -3.082 -9.887 1.00 0.00 C ATOM 0 H ALA A 60 0.332 -1.887 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 60 2.048 -4.193 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.062 -3.413 -10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.316 -3.725 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.914 -2.053 -10.212 1.00 0.00 H new ATOM 881 N VAL A 61 4.235 -3.082 -7.587 1.00 0.00 N ATOM 882 CA VAL A 61 5.479 -2.548 -7.129 1.00 0.00 C ATOM 883 C VAL A 61 6.430 -2.587 -8.276 1.00 0.00 C ATOM 884 O VAL A 61 6.958 -3.639 -8.633 1.00 0.00 O ATOM 885 CB VAL A 61 6.037 -3.325 -5.974 1.00 0.00 C ATOM 886 CG1 VAL A 61 7.415 -2.803 -5.536 1.00 0.00 C ATOM 887 CG2 VAL A 61 5.071 -3.225 -4.781 1.00 0.00 C ATOM 0 H VAL A 61 4.306 -4.073 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 61 5.324 -1.529 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 61 6.153 -4.359 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.779 -3.396 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.115 -2.882 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.329 -1.760 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.473 -3.789 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.953 -2.180 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.101 -3.636 -5.063 1.00 0.00 H new ATOM 897 N ASN A 62 6.652 -1.441 -8.944 1.00 0.00 N ATOM 898 CA ASN A 62 7.505 -1.269 -10.078 1.00 0.00 C ATOM 899 C ASN A 62 7.164 -2.163 -11.220 1.00 0.00 C ATOM 900 O ASN A 62 7.991 -2.850 -11.816 1.00 0.00 O ATOM 901 CB ASN A 62 8.984 -1.184 -9.663 1.00 0.00 C ATOM 902 CG ASN A 62 9.919 -0.841 -10.814 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.787 -1.625 -11.193 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.723 0.361 -11.421 1.00 0.00 N ATOM 0 H ASN A 62 6.200 -0.569 -8.669 1.00 0.00 H new ATOM 0 HA ASN A 62 7.305 -0.290 -10.514 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.091 -0.432 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.287 -2.138 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.305 0.633 -12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.995 0.990 -11.083 1.00 0.00 H new ATOM 911 N GLY A 63 5.867 -2.208 -11.578 1.00 0.00 N ATOM 912 CA GLY A 63 5.355 -2.984 -12.664 1.00 0.00 C ATOM 913 C GLY A 63 5.007 -4.391 -12.320 1.00 0.00 C ATOM 914 O GLY A 63 4.345 -5.081 -13.094 1.00 0.00 O ATOM 0 H GLY A 63 5.145 -1.680 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.466 -2.491 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.094 -2.993 -13.465 1.00 0.00 H new ATOM 918 N VAL A 64 5.455 -4.893 -11.154 1.00 0.00 N ATOM 919 CA VAL A 64 5.231 -6.240 -10.730 1.00 0.00 C ATOM 920 C VAL A 64 4.119 -6.284 -9.740 1.00 0.00 C ATOM 921 O VAL A 64 4.172 -5.677 -8.671 1.00 0.00 O ATOM 922 CB VAL A 64 6.459 -6.874 -10.146 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.226 -8.384 -9.964 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.673 -6.651 -11.062 1.00 0.00 C ATOM 0 H VAL A 64 5.991 -4.342 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 64 4.963 -6.814 -11.617 1.00 0.00 H new ATOM 0 HB VAL A 64 6.660 -6.413 -9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.120 -8.842 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.383 -8.544 -9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.010 -8.838 -10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.553 -7.119 -10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.478 -7.094 -12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.850 -5.582 -11.178 1.00 0.00 H new ATOM 934 N SER A 65 3.017 -6.979 -10.077 1.00 0.00 N ATOM 935 CA SER A 65 1.846 -7.093 -9.264 1.00 0.00 C ATOM 936 C SER A 65 1.983 -8.088 -8.163 1.00 0.00 C ATOM 937 O SER A 65 2.610 -9.136 -8.310 1.00 0.00 O ATOM 938 CB SER A 65 0.619 -7.422 -10.131 1.00 0.00 C ATOM 939 OG SER A 65 -0.608 -7.212 -9.448 1.00 0.00 O ATOM 0 H SER A 65 2.940 -7.486 -10.959 1.00 0.00 H new ATOM 0 HA SER A 65 1.709 -6.122 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.639 -6.806 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.676 -8.461 -10.455 1.00 0.00 H new ATOM 0 HG SER A 65 -1.355 -7.434 -10.042 1.00 0.00 H new ATOM 945 N LEU A 66 1.383 -7.807 -6.992 1.00 0.00 N ATOM 946 CA LEU A 66 1.487 -8.608 -5.812 1.00 0.00 C ATOM 947 C LEU A 66 0.377 -9.596 -5.693 1.00 0.00 C ATOM 948 O LEU A 66 -0.217 -9.813 -4.638 1.00 0.00 O ATOM 949 CB LEU A 66 1.603 -7.698 -4.577 1.00 0.00 C ATOM 950 CG LEU A 66 3.048 -7.346 -4.183 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.812 -6.571 -5.269 1.00 0.00 C ATOM 952 CD2 LEU A 66 3.056 -6.542 -2.872 1.00 0.00 C ATOM 0 H LEU A 66 0.798 -6.982 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 66 2.395 -9.207 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.056 -6.775 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.118 -8.188 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 66 3.568 -8.295 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.823 -6.358 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.860 -7.171 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.295 -5.634 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.083 -6.298 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.487 -5.622 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.603 -7.136 -2.078 1.00 0.00 H new ATOM 964 N GLU A 67 0.056 -10.286 -6.802 1.00 0.00 N ATOM 965 CA GLU A 67 -0.898 -11.349 -6.871 1.00 0.00 C ATOM 966 C GLU A 67 -0.459 -12.568 -6.136 1.00 0.00 C ATOM 967 O GLU A 67 0.519 -13.216 -6.506 1.00 0.00 O ATOM 968 CB GLU A 67 -1.169 -11.724 -8.337 1.00 0.00 C ATOM 969 CG GLU A 67 -1.788 -10.589 -9.156 1.00 0.00 C ATOM 970 CD GLU A 67 -1.811 -10.935 -10.638 1.00 0.00 C ATOM 971 OE1 GLU A 67 -2.305 -12.039 -10.993 1.00 0.00 O ATOM 972 OE2 GLU A 67 -1.337 -10.112 -11.466 1.00 0.00 O ATOM 0 H GLU A 67 0.489 -10.089 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.806 -10.980 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.233 -12.029 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.835 -12.586 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.803 -10.396 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.219 -9.672 -9.002 1.00 0.00 H new ATOM 979 N GLY A 68 -1.165 -12.943 -5.054 1.00 0.00 N ATOM 980 CA GLY A 68 -0.832 -14.076 -4.246 1.00 0.00 C ATOM 981 C GLY A 68 0.128 -13.772 -3.147 1.00 0.00 C ATOM 982 O GLY A 68 0.604 -14.669 -2.452 1.00 0.00 O ATOM 0 H GLY A 68 -1.993 -12.443 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.746 -14.484 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.407 -14.852 -4.883 1.00 0.00 H new ATOM 986 N ALA A 69 0.444 -12.483 -2.927 1.00 0.00 N ATOM 987 CA ALA A 69 1.146 -12.018 -1.772 1.00 0.00 C ATOM 988 C ALA A 69 0.239 -11.948 -0.592 1.00 0.00 C ATOM 989 O ALA A 69 -0.932 -11.591 -0.710 1.00 0.00 O ATOM 990 CB ALA A 69 1.716 -10.617 -2.050 1.00 0.00 C ATOM 0 H ALA A 69 0.201 -11.737 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 69 1.953 -12.718 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.252 -10.261 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.400 -10.664 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.900 -9.931 -2.280 1.00 0.00 H new ATOM 996 N THR A 70 0.731 -12.276 0.616 1.00 0.00 N ATOM 997 CA THR A 70 0.041 -11.960 1.828 1.00 0.00 C ATOM 998 C THR A 70 0.466 -10.623 2.331 1.00 0.00 C ATOM 999 O THR A 70 1.339 -9.965 1.766 1.00 0.00 O ATOM 1000 CB THR A 70 0.171 -12.973 2.927 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.517 -13.265 3.272 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.532 -14.285 2.545 1.00 0.00 C ATOM 0 H THR A 70 1.616 -12.765 0.754 1.00 0.00 H new ATOM 0 HA THR A 70 -1.014 -11.961 1.553 1.00 0.00 H new ATOM 0 HB THR A 70 -0.305 -12.520 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.533 -13.929 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.425 -15.005 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.590 -14.093 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.080 -14.689 1.639 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.149 -10.137 3.424 1.00 0.00 N ATOM 1011 CA HIS A 71 0.080 -8.833 3.964 1.00 0.00 C ATOM 1012 C HIS A 71 1.483 -8.549 4.379 1.00 0.00 C ATOM 1013 O HIS A 71 1.993 -7.458 4.126 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.906 -8.544 5.107 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.807 -7.142 5.631 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.816 -6.014 4.836 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -0.628 -6.699 6.905 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.617 -4.953 5.664 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -0.502 -5.326 6.925 1.00 0.00 N ATOM 0 H HIS A 71 -0.835 -10.675 3.954 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.099 -8.148 3.136 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.922 -8.723 4.756 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.723 -9.244 5.922 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.946 -5.982 3.825 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.590 -7.334 7.778 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.560 -3.928 5.329 1.00 0.00 H new ATOM 1027 N LYS A 72 2.204 -9.520 4.968 1.00 0.00 N ATOM 1028 CA LYS A 72 3.593 -9.430 5.292 1.00 0.00 C ATOM 1029 C LYS A 72 4.454 -9.036 4.141 1.00 0.00 C ATOM 1030 O LYS A 72 5.344 -8.198 4.279 1.00 0.00 O ATOM 1031 CB LYS A 72 4.104 -10.778 5.829 1.00 0.00 C ATOM 1032 CG LYS A 72 5.556 -10.820 6.310 1.00 0.00 C ATOM 1033 CD LYS A 72 5.772 -10.099 7.642 1.00 0.00 C ATOM 1034 CE LYS A 72 7.199 -10.185 8.186 1.00 0.00 C ATOM 1035 NZ LYS A 72 8.104 -9.263 7.463 1.00 0.00 N ATOM 0 H LYS A 72 1.794 -10.416 5.232 1.00 0.00 H new ATOM 0 HA LYS A 72 3.665 -8.647 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.462 -11.080 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.984 -11.525 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.868 -11.859 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.196 -10.368 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.506 -9.049 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.089 -10.517 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.201 -9.942 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.566 -11.207 8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.034 -9.254 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.211 -9.583 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.703 -8.304 7.473 1.00 0.00 H new ATOM 1049 N GLN A 73 4.200 -9.583 2.939 1.00 0.00 N ATOM 1050 CA GLN A 73 4.970 -9.352 1.756 1.00 0.00 C ATOM 1051 C GLN A 73 4.779 -7.977 1.215 1.00 0.00 C ATOM 1052 O GLN A 73 5.714 -7.331 0.745 1.00 0.00 O ATOM 1053 CB GLN A 73 4.570 -10.405 0.709 1.00 0.00 C ATOM 1054 CG GLN A 73 4.982 -11.829 1.083 1.00 0.00 C ATOM 1055 CD GLN A 73 6.478 -12.047 0.902 1.00 0.00 C ATOM 1056 OE1 GLN A 73 7.293 -11.855 1.801 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.859 -12.471 -0.333 1.00 0.00 N ATOM 0 H GLN A 73 3.418 -10.219 2.785 1.00 0.00 H new ATOM 0 HA GLN A 73 6.028 -9.440 2.004 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.489 -10.373 0.569 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.023 -10.144 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.708 -12.027 2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.433 -12.541 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.159 -12.622 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.845 -12.638 -0.533 1.00 0.00 H new ATOM 1066 N ALA A 74 3.554 -7.430 1.314 1.00 0.00 N ATOM 1067 CA ALA A 74 3.239 -6.080 0.962 1.00 0.00 C ATOM 1068 C ALA A 74 3.894 -5.061 1.830 1.00 0.00 C ATOM 1069 O ALA A 74 4.327 -4.005 1.373 1.00 0.00 O ATOM 1070 CB ALA A 74 1.712 -5.904 1.012 1.00 0.00 C ATOM 0 H ALA A 74 2.747 -7.952 1.655 1.00 0.00 H new ATOM 0 HA ALA A 74 3.627 -5.910 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.455 -4.879 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.243 -6.590 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.354 -6.118 2.019 1.00 0.00 H new ATOM 1076 N VAL A 75 4.018 -5.356 3.137 1.00 0.00 N ATOM 1077 CA VAL A 75 4.634 -4.511 4.113 1.00 0.00 C ATOM 1078 C VAL A 75 6.121 -4.593 4.066 1.00 0.00 C ATOM 1079 O VAL A 75 6.816 -3.579 4.114 1.00 0.00 O ATOM 1080 CB VAL A 75 4.110 -4.840 5.478 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.795 -4.015 6.580 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.599 -4.554 5.478 1.00 0.00 C ATOM 0 H VAL A 75 3.670 -6.229 3.533 1.00 0.00 H new ATOM 0 HA VAL A 75 4.374 -3.479 3.878 1.00 0.00 H new ATOM 0 HB VAL A 75 4.318 -5.888 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.381 -4.289 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.866 -4.216 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.624 -2.954 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.185 -4.784 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.428 -3.502 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.111 -5.173 4.725 1.00 0.00 H new ATOM 1092 N GLU A 76 6.693 -5.802 3.922 1.00 0.00 N ATOM 1093 CA GLU A 76 8.099 -6.042 3.814 1.00 0.00 C ATOM 1094 C GLU A 76 8.709 -5.380 2.628 1.00 0.00 C ATOM 1095 O GLU A 76 9.797 -4.811 2.709 1.00 0.00 O ATOM 1096 CB GLU A 76 8.372 -7.555 3.827 1.00 0.00 C ATOM 1097 CG GLU A 76 9.804 -7.964 4.179 1.00 0.00 C ATOM 1098 CD GLU A 76 9.936 -9.466 4.377 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.133 -10.061 5.145 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.861 -10.077 3.777 1.00 0.00 O ATOM 0 H GLU A 76 6.143 -6.660 3.879 1.00 0.00 H new ATOM 0 HA GLU A 76 8.580 -5.590 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.694 -8.023 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.129 -7.959 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.478 -7.643 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.115 -7.450 5.089 1.00 0.00 H new ATOM 1107 N THR A 77 7.990 -5.341 1.491 1.00 0.00 N ATOM 1108 CA THR A 77 8.364 -4.601 0.326 1.00 0.00 C ATOM 1109 C THR A 77 8.264 -3.121 0.463 1.00 0.00 C ATOM 1110 O THR A 77 8.951 -2.402 -0.260 1.00 0.00 O ATOM 1111 CB THR A 77 7.652 -5.017 -0.928 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.241 -5.066 -0.766 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.109 -6.424 -1.350 1.00 0.00 C ATOM 0 H THR A 77 7.111 -5.847 1.380 1.00 0.00 H new ATOM 0 HA THR A 77 9.418 -4.862 0.233 1.00 0.00 H new ATOM 0 HB THR A 77 7.899 -4.268 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.997 -5.871 -0.264 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.587 -6.718 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.184 -6.418 -1.533 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.880 -7.134 -0.556 1.00 0.00 H new ATOM 1121 N LEU A 78 7.451 -2.570 1.382 1.00 0.00 N ATOM 1122 CA LEU A 78 7.423 -1.170 1.671 1.00 0.00 C ATOM 1123 C LEU A 78 8.543 -0.742 2.556 1.00 0.00 C ATOM 1124 O LEU A 78 9.162 0.302 2.359 1.00 0.00 O ATOM 1125 CB LEU A 78 6.116 -0.744 2.360 1.00 0.00 C ATOM 1126 CG LEU A 78 4.938 -0.514 1.397 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.661 -0.278 2.221 1.00 0.00 C ATOM 1128 CD2 LEU A 78 5.198 0.679 0.460 1.00 0.00 C ATOM 0 H LEU A 78 6.794 -3.115 1.940 1.00 0.00 H new ATOM 0 HA LEU A 78 7.514 -0.689 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.834 -1.509 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.297 0.173 2.920 1.00 0.00 H new ATOM 0 HG LEU A 78 4.820 -1.398 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.819 -0.114 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.463 -1.151 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.794 0.598 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.345 0.811 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.340 1.583 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.094 0.489 -0.131 1.00 0.00 H new ATOM 1140 N ARG A 79 8.867 -1.554 3.577 1.00 0.00 N ATOM 1141 CA ARG A 79 9.996 -1.359 4.432 1.00 0.00 C ATOM 1142 C ARG A 79 11.273 -1.467 3.672 1.00 0.00 C ATOM 1143 O ARG A 79 12.161 -0.623 3.788 1.00 0.00 O ATOM 1144 CB ARG A 79 9.945 -2.342 5.613 1.00 0.00 C ATOM 1145 CG ARG A 79 8.740 -2.181 6.543 1.00 0.00 C ATOM 1146 CD ARG A 79 8.798 -0.982 7.492 1.00 0.00 C ATOM 1147 NE ARG A 79 7.591 -0.989 8.366 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.527 -1.651 9.558 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.458 -2.570 9.949 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.500 -1.380 10.415 1.00 0.00 N ATOM 0 H ARG A 79 8.320 -2.381 3.817 1.00 0.00 H new ATOM 0 HA ARG A 79 9.955 -0.348 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.947 -3.358 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.856 -2.226 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.841 -2.097 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.638 -3.089 7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.702 -1.028 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.843 -0.054 6.922 1.00 0.00 H new ATOM 0 HE ARG A 79 6.768 -0.471 8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.246 -2.788 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.365 -3.038 10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.793 -0.690 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.440 -1.867 11.309 1.00 0.00 H new ATOM 1164 N ASN A 80 11.399 -2.463 2.776 1.00 0.00 N ATOM 1165 CA ASN A 80 12.488 -2.580 1.858 1.00 0.00 C ATOM 1166 C ASN A 80 12.190 -1.955 0.538 1.00 0.00 C ATOM 1167 O ASN A 80 12.261 -2.592 -0.511 1.00 0.00 O ATOM 1168 CB ASN A 80 12.884 -4.053 1.652 1.00 0.00 C ATOM 1169 CG ASN A 80 13.415 -4.642 2.951 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.591 -4.495 3.278 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.525 -5.324 3.720 1.00 0.00 N ATOM 0 H ASN A 80 10.716 -3.215 2.688 1.00 0.00 H new ATOM 0 HA ASN A 80 13.323 -2.040 2.305 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.021 -4.625 1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.643 -4.127 0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.825 -5.736 4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.557 -5.424 3.413 1.00 0.00 H new ATOM 1178 N THR A 81 11.888 -0.645 0.541 1.00 0.00 N ATOM 1179 CA THR A 81 11.852 0.185 -0.623 1.00 0.00 C ATOM 1180 C THR A 81 13.215 0.744 -0.848 1.00 0.00 C ATOM 1181 O THR A 81 13.927 0.350 -1.771 1.00 0.00 O ATOM 1182 CB THR A 81 10.890 1.335 -0.583 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.777 1.918 0.708 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.488 0.847 -0.984 1.00 0.00 C ATOM 0 H THR A 81 11.658 -0.140 1.397 1.00 0.00 H new ATOM 0 HA THR A 81 11.505 -0.467 -1.424 1.00 0.00 H new ATOM 0 HB THR A 81 11.279 2.084 -1.273 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.213 1.351 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.789 1.683 -0.955 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.520 0.437 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.159 0.075 -0.289 1.00 0.00 H new ATOM 1192 N GLY A 82 13.620 1.699 0.010 1.00 0.00 N ATOM 1193 CA GLY A 82 14.890 2.354 -0.028 1.00 0.00 C ATOM 1194 C GLY A 82 14.672 3.796 -0.336 1.00 0.00 C ATOM 1195 O GLY A 82 13.868 4.469 0.308 1.00 0.00 O ATOM 0 H GLY A 82 13.028 2.031 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.401 2.244 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.529 1.898 -0.785 1.00 0.00 H new ATOM 1199 N GLN A 83 15.383 4.318 -1.351 1.00 0.00 N ATOM 1200 CA GLN A 83 15.331 5.703 -1.705 1.00 0.00 C ATOM 1201 C GLN A 83 14.096 6.073 -2.452 1.00 0.00 C ATOM 1202 O GLN A 83 13.453 7.075 -2.144 1.00 0.00 O ATOM 1203 CB GLN A 83 16.583 6.085 -2.512 1.00 0.00 C ATOM 1204 CG GLN A 83 16.969 7.564 -2.436 1.00 0.00 C ATOM 1205 CD GLN A 83 17.438 7.929 -1.035 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.223 7.220 -0.406 1.00 0.00 O ATOM 1207 NE2 GLN A 83 16.949 9.085 -0.510 1.00 0.00 N ATOM 0 H GLN A 83 16.008 3.766 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 83 15.305 6.267 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.422 5.486 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.420 5.820 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.760 7.775 -3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.114 8.182 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.299 9.656 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 83 17.232 9.381 0.424 1.00 0.00 H new ATOM 1216 N VAL A 84 13.735 5.267 -3.467 1.00 0.00 N ATOM 1217 CA VAL A 84 12.709 5.564 -4.417 1.00 0.00 C ATOM 1218 C VAL A 84 11.614 4.552 -4.404 1.00 0.00 C ATOM 1219 O VAL A 84 11.805 3.375 -4.105 1.00 0.00 O ATOM 1220 CB VAL A 84 13.301 5.742 -5.783 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.745 4.409 -6.409 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.356 6.498 -6.732 1.00 0.00 C ATOM 0 H VAL A 84 14.181 4.365 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 84 12.245 6.506 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 84 14.193 6.353 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.166 4.594 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.498 3.942 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.885 3.745 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.828 6.602 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.424 5.942 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.145 7.486 -6.324 1.00 0.00 H new ATOM 1232 N VAL A 85 10.382 4.994 -4.712 1.00 0.00 N ATOM 1233 CA VAL A 85 9.169 4.235 -4.724 1.00 0.00 C ATOM 1234 C VAL A 85 8.506 4.417 -6.046 1.00 0.00 C ATOM 1235 O VAL A 85 8.076 5.515 -6.400 1.00 0.00 O ATOM 1236 CB VAL A 85 8.248 4.712 -3.640 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.951 3.888 -3.615 1.00 0.00 C ATOM 1238 CG2 VAL A 85 8.939 4.627 -2.269 1.00 0.00 C ATOM 0 H VAL A 85 10.222 5.966 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 85 9.398 3.183 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 85 7.997 5.751 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.302 4.255 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.441 3.984 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.189 2.840 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.256 4.977 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.218 3.593 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.833 5.250 -2.273 1.00 0.00 H new ATOM 1248 N HIS A 86 8.363 3.344 -6.844 1.00 0.00 N ATOM 1249 CA HIS A 86 7.633 3.356 -8.074 1.00 0.00 C ATOM 1250 C HIS A 86 6.499 2.401 -7.926 1.00 0.00 C ATOM 1251 O HIS A 86 6.729 1.204 -7.757 1.00 0.00 O ATOM 1252 CB HIS A 86 8.490 2.871 -9.256 1.00 0.00 C ATOM 1253 CG HIS A 86 9.559 3.824 -9.703 1.00 0.00 C ATOM 1254 ND1 HIS A 86 10.704 4.006 -8.955 1.00 0.00 N ATOM 1255 CD2 HIS A 86 9.593 4.599 -10.821 1.00 0.00 C ATOM 1256 CE1 HIS A 86 11.401 4.917 -9.609 1.00 0.00 C ATOM 1257 NE2 HIS A 86 10.779 5.302 -10.755 1.00 0.00 N ATOM 0 H HIS A 86 8.770 2.435 -6.625 1.00 0.00 H new ATOM 0 HA HIS A 86 7.309 4.377 -8.276 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.959 1.927 -8.980 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.832 2.665 -10.101 1.00 0.00 H new ATOM 0 HD2 HIS A 86 8.846 4.653 -11.599 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.350 5.309 -9.274 1.00 0.00 H new ATOM 0 HE2 HIS A 86 11.123 5.980 -11.435 1.00 0.00 H new ATOM 1265 N LEU A 87 5.237 2.866 -7.958 1.00 0.00 N ATOM 1266 CA LEU A 87 4.112 2.008 -7.747 1.00 0.00 C ATOM 1267 C LEU A 87 2.939 2.380 -8.588 1.00 0.00 C ATOM 1268 O LEU A 87 2.807 3.510 -9.056 1.00 0.00 O ATOM 1269 CB LEU A 87 3.726 1.869 -6.265 1.00 0.00 C ATOM 1270 CG LEU A 87 2.845 2.958 -5.628 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.411 2.515 -4.221 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.518 4.338 -5.542 1.00 0.00 C ATOM 0 H LEU A 87 4.995 3.842 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 87 4.439 1.021 -8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.212 0.915 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.648 1.809 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 87 1.984 3.074 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.787 3.288 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.844 1.587 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.293 2.356 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.832 5.049 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.423 4.264 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.776 4.680 -6.544 1.00 0.00 H new ATOM 1284 N LEU A 88 2.028 1.417 -8.815 1.00 0.00 N ATOM 1285 CA LEU A 88 0.832 1.611 -9.575 1.00 0.00 C ATOM 1286 C LEU A 88 -0.346 1.277 -8.725 1.00 0.00 C ATOM 1287 O LEU A 88 -0.377 0.265 -8.026 1.00 0.00 O ATOM 1288 CB LEU A 88 0.781 0.776 -10.865 1.00 0.00 C ATOM 1289 CG LEU A 88 1.075 1.569 -12.151 1.00 0.00 C ATOM 1290 CD1 LEU A 88 2.569 1.871 -12.356 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.529 0.813 -13.374 1.00 0.00 C ATOM 0 H LEU A 88 2.128 0.468 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 88 0.817 2.658 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.500 -0.039 -10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.207 0.323 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 88 0.571 2.529 -12.041 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.703 2.432 -13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.940 2.460 -11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.125 0.935 -12.415 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.742 1.382 -14.279 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.006 -0.165 -13.440 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.549 0.685 -13.271 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.370 2.149 -8.764 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.494 2.133 -7.880 1.00 0.00 C ATOM 1305 C LEU A 89 -3.759 2.160 -8.668 1.00 0.00 C ATOM 1306 O LEU A 89 -3.749 2.402 -9.874 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.502 3.379 -6.978 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.195 3.695 -6.231 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.257 4.608 -7.039 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.508 4.397 -4.898 1.00 0.00 C ATOM 0 H LEU A 89 -1.415 2.904 -9.448 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.421 1.229 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.762 4.242 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.296 3.261 -6.241 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.694 2.741 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.649 4.798 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.004 4.121 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.759 5.553 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.577 4.617 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.043 5.326 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.126 3.745 -4.280 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.911 1.945 -8.008 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.199 2.363 -8.469 1.00 0.00 C ATOM 1324 C GLU A 90 -6.705 3.351 -7.474 1.00 0.00 C ATOM 1325 O GLU A 90 -6.556 3.166 -6.267 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.197 1.201 -8.602 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.565 1.576 -9.176 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.614 0.515 -8.879 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.850 0.252 -7.669 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.198 -0.095 -9.814 1.00 0.00 O ATOM 0 H GLU A 90 -4.946 1.458 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.102 2.789 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.753 0.434 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.344 0.756 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.885 2.530 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.481 1.712 -10.254 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.272 4.478 -7.941 1.00 0.00 N ATOM 1338 CA LYS A 91 -7.783 5.523 -7.111 1.00 0.00 C ATOM 1339 C LYS A 91 -9.079 5.205 -6.449 1.00 0.00 C ATOM 1340 O LYS A 91 -10.017 4.698 -7.062 1.00 0.00 O ATOM 1341 CB LYS A 91 -7.860 6.823 -7.930 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.245 8.082 -7.150 1.00 0.00 C ATOM 1343 CD LYS A 91 -8.187 9.338 -8.020 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.767 9.793 -8.365 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.803 10.866 -9.383 1.00 0.00 N ATOM 0 H LYS A 91 -7.378 4.668 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.086 5.647 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.891 6.992 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.583 6.681 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.252 7.966 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.574 8.200 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.732 9.152 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.702 10.149 -7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.265 10.152 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.188 8.948 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.832 11.165 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.264 10.511 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.338 11.677 -9.013 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.158 5.450 -5.128 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.287 5.188 -4.291 1.00 0.00 C ATOM 1361 C GLY A 92 -11.351 6.232 -4.254 1.00 0.00 C ATOM 1362 O GLY A 92 -12.116 6.439 -5.194 1.00 0.00 O ATOM 0 H GLY A 92 -8.379 5.859 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.741 4.251 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.927 5.033 -3.274 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.393 -9.253 10.669 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.248 -8.198 11.624 1.00 0.00 C ATOM 1562 C GLN B 11 -2.678 -6.882 11.072 1.00 0.00 C ATOM 1563 O GLN B 11 -3.759 -6.779 10.494 1.00 0.00 O ATOM 1564 CB GLN B 11 -0.833 -8.192 12.226 1.00 0.00 C ATOM 1565 CG GLN B 11 -0.785 -7.670 13.663 1.00 0.00 C ATOM 1566 CD GLN B 11 0.561 -7.974 14.304 1.00 0.00 C ATOM 1567 OE1 GLN B 11 1.390 -7.084 14.488 1.00 0.00 O ATOM 1568 NE2 GLN B 11 0.794 -9.273 14.633 1.00 0.00 N ATOM 0 HA GLN B 11 -2.929 -8.390 12.454 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.432 -9.205 12.202 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.184 -7.577 11.602 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -0.961 -6.594 13.670 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -1.583 -8.128 14.248 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.077 -9.979 14.463 1.00 0.00 H new ATOM 0 HE22 GLN B 11 1.685 -9.541 15.050 1.00 0.00 H new ATOM 1577 N VAL B 12 -1.873 -5.818 11.237 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.075 -4.492 10.740 1.00 0.00 C ATOM 1579 C VAL B 12 -0.718 -4.004 10.365 1.00 0.00 C ATOM 1580 O VAL B 12 0.267 -4.674 10.669 1.00 0.00 O ATOM 1581 CB VAL B 12 -2.703 -3.556 11.731 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.390 -2.377 11.023 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -3.771 -4.258 12.588 1.00 0.00 C ATOM 0 H VAL B 12 -1.004 -5.894 11.765 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.775 -4.519 9.905 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.890 -3.204 12.366 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.836 -1.716 11.766 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.654 -1.823 10.440 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.168 -2.754 10.360 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.200 -3.544 13.292 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.558 -4.648 11.942 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.313 -5.080 13.139 1.00 0.00 H new ATOM 1593 N SER B 13 -0.555 -2.846 9.700 1.00 0.00 N ATOM 1594 CA SER B 13 0.729 -2.291 9.404 1.00 0.00 C ATOM 1595 C SER B 13 0.801 -0.804 9.448 1.00 0.00 C ATOM 1596 O SER B 13 -0.086 -0.083 8.991 1.00 0.00 O ATOM 1597 CB SER B 13 1.290 -2.688 8.028 1.00 0.00 C ATOM 1598 OG SER B 13 0.314 -2.564 7.004 1.00 0.00 O ATOM 0 H SER B 13 -1.334 -2.282 9.360 1.00 0.00 H new ATOM 0 HA SER B 13 1.323 -2.722 10.210 1.00 0.00 H new ATOM 0 HB2 SER B 13 2.148 -2.059 7.790 1.00 0.00 H new ATOM 0 HB3 SER B 13 1.649 -3.716 8.065 1.00 0.00 H new ATOM 0 HG SER B 13 0.755 -2.348 6.156 1.00 0.00 H new ATOM 1604 N ALA B 14 1.935 -0.296 9.961 1.00 0.00 N ATOM 1605 CA ALA B 14 2.310 1.084 9.965 1.00 0.00 C ATOM 1606 C ALA B 14 3.675 1.279 9.399 1.00 0.00 C ATOM 1607 O ALA B 14 4.637 0.583 9.720 1.00 0.00 O ATOM 1608 CB ALA B 14 2.216 1.653 11.391 1.00 0.00 C ATOM 0 H ALA B 14 2.637 -0.890 10.403 1.00 0.00 H new ATOM 0 HA ALA B 14 1.615 1.629 9.326 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.504 2.704 11.383 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.192 1.560 11.753 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.885 1.099 12.049 1.00 0.00 H new ATOM 1614 N VAL B 15 3.807 2.270 8.500 1.00 0.00 N ATOM 1615 CA VAL B 15 5.019 2.685 7.865 1.00 0.00 C ATOM 1616 C VAL B 15 4.820 4.160 7.545 1.00 0.00 C ATOM 1617 O VAL B 15 3.644 4.606 7.458 1.00 0.00 O ATOM 1618 CB VAL B 15 5.341 1.850 6.662 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.162 1.814 5.675 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.636 2.310 5.972 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.807 4.937 7.446 1.00 0.00 O ATOM 0 H VAL B 15 3.005 2.822 8.195 1.00 0.00 H new ATOM 0 HA VAL B 15 5.886 2.547 8.511 1.00 0.00 H new ATOM 0 HB VAL B 15 5.511 0.833 7.014 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.427 1.201 4.814 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.288 1.389 6.168 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.935 2.827 5.343 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.831 1.678 5.106 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.528 3.345 5.649 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.468 2.233 6.672 1.00 0.00 H new